1-[1-[4-(dimethylamino)phenyl]ethyl]pyrrolidine-2-carboxylic acid

C15H22N2O2 — CID 65056078

IUPAC1-[1-[4-(dimethylamino)phenyl]ethyl]pyrrolidine-2-carboxylic acid
SMILESCC(c1ccc(N(C)C)cc1)N1CCCC1C(=O)O
InChIInChI=1S/C15H22N2O2/c1-11(17-10-4-5-14(17)15(18)19)12-6-8-13(9-7-12)16(2)3/h6-9,11,14H,4-5,10H2,1-3H3,(H,18,19)
InChIKeyAUOJQWUQEGVDMD-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.36
Rot. Bonds4

About 1-[1-[4-(dimethylamino)phenyl]ethyl]pyrrolidine-2-carboxylic acid

1-[1-[4-(dimethylamino)phenyl]ethyl]pyrrolidine-2-carboxylic acid (PubChem CID 65056078) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-[1-[4-(dimethylamino)phenyl]ethyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[1-[4-(dimethylamino)phenyl]ethyl]pyrrolidine-2-carboxylic acid
PubChem CID65056078
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-[1-[4-(dimethylamino)phenyl]ethyl]pyrrolidine-2-carboxylic acid
SMILESCC(c1ccc(N(C)C)cc1)N1CCCC1C(=O)O
InChIInChI=1S/C15H22N2O2/c1-11(17-10-4-5-14(17)15(18)19)12-6-8-13(9-7-12)16(2)3/h6-9,11,14H,4-5,10H2,1-3H3,(H,18,19)
InChIKeyAUOJQWUQEGVDMD-UHFFFAOYSA-N
XLogP2.36
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-[[4-(dimethylamino)phenyl]-thiophen-2-ylmethyl]pyrrolidine-2-carboxylic acid
CID 5091825
1-[[4-(dimethylamino)phenyl]-(5-methylthiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 3902129
1-(1-thiophen-3-ylethyl)pyrrolidine-2-carboxylic acid
CID 3510647
1-[(2-chlorophenyl)-[4-(dimethylamino)phenyl]methyl]piperidine-2-carboxylic acid
CID 5018575
(2R)-1-[(1R)-1-phenylethyl]azetidine-2-carboxylic acid
CID 21308199
1-[1-(3-bromo-4-fluorophenyl)ethyl]pyrrolidine-2-carboxylic acid
CID 65056516
1-[[4-(dimethylamino)phenyl]-(5-methylthiophen-2-yl)methyl]piperidine-2-carboxylic acid
CID 3957132
1-[1,3-benzodioxol-5-yl-[4-(dimethylamino)phenyl]methyl]piperidine-2-carboxylic acid
CID 3488145
1-[[4-(dimethylamino)phenyl]-(3-methylthiophen-2-yl)methyl]piperidine-2-carboxylic acid
CID 3923945
1-[(1R)-1-phenylethyl]pyrrolidine-2-carboxamide
CID 140759748
1-[1-(3,5-dihydroxyphenyl)ethyl]piperidine-2-carboxylic acid
CID 107707800
(2S)-1-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyrrolidine-2-carboxylic acid
CID 110838452

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(dimethylamino)phenyl]ethyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[1-[4-(dimethylamino)phenyl]ethyl]pyrrolidine-2-carboxylic acid (CID 65056078) is 1-[1-[4-(dimethylamino)phenyl]ethyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[1-[4-(dimethylamino)phenyl]ethyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[1-[4-(dimethylamino)phenyl]ethyl]pyrrolidine-2-carboxylic acid is CC(c1ccc(N(C)C)cc1)N1CCCC1C(=O)O.
What is the InChIKey of 1-[1-[4-(dimethylamino)phenyl]ethyl]pyrrolidine-2-carboxylic acid?
The InChIKey is AUOJQWUQEGVDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11(17-10-4-5-14(17)15(18)19)12-6-8-13(9-7-12)16(2)3/h6-9,11,14H,4-5,10H2,1-3H3,(H,18,19).
What are the key properties of 1-[1-[4-(dimethylamino)phenyl]ethyl]pyrrolidine-2-carboxylic acid?
1-[1-[4-(dimethylamino)phenyl]ethyl]pyrrolidine-2-carboxylic acid has a molecular weight of 262.35 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(dimethylamino)phenyl]ethyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 65056078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).